[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone

C12H12N4OS — CID 71661878

IUPAC[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone
SMILESC=CCNc1nc(N)c(C(=O)c2cccnc2)s1
InChIInChI=1S/C12H12N4OS/c1-2-5-15-12-16-11(13)10(18-12)9(17)8-4-3-6-14-7-8/h2-4,6-7H,1,5,13H2,(H,15,16)
InChIKeyQNNXJIYSLIKTDV-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.95
Rot. Bonds5

About [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone

[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone (PubChem CID 71661878) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone
PubChem CID71661878
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone
SMILESC=CCNc1nc(N)c(C(=O)c2cccnc2)s1
InChIInChI=1S/C12H12N4OS/c1-2-5-15-12-16-11(13)10(18-12)9(17)8-4-3-6-14-7-8/h2-4,6-7H,1,5,13H2,(H,15,16)
InChIKeyQNNXJIYSLIKTDV-UHFFFAOYSA-N
XLogP1.95
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide
CID 5327096
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 506605
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553052
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone
CID 59974568
N-(2-aminoethyl)-5-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57867446
N-(5-methyl-1,3-thiazol-2-yl)isonicotinamide
CID 1245805
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-fluorophenyl)methanone
CID 54581340
[4-Amino-2-(Cyclohexylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone
CID 66553067
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzamide
CID 71662399

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone (CID 71661878) is [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone is C=CCNc1nc(N)c(C(=O)c2cccnc2)s1.
What is the InChIKey of [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
The InChIKey is QNNXJIYSLIKTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-2-5-15-12-16-11(13)10(18-12)9(17)8-4-3-6-14-7-8/h2-4,6-7H,1,5,13H2,(H,15,16).
What are the key properties of [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone has a molecular weight of 260.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 71661878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).